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dc.contributor.authorWu, DY
dc.contributor.authorRen, B
dc.contributor.author任斌
dc.contributor.authorXu, X
dc.contributor.author徐昕
dc.contributor.authorLiu, GK
dc.contributor.authorYang, ZL
dc.contributor.authorTian, ZQ
dc.contributor.author田中群
dc.date.accessioned2012-04-21T23:51:43Z
dc.date.available2012-04-21T23:51:43Z
dc.date.issued2003
dc.identifier.citationJ. Chem. Phys.,2003, 119, 1701zh_CN
dc.identifier.issn0021-9606
dc.identifier.urihttp://dx.doi.org/10.1063/1.1580102
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/12141
dc.description.abstractPyridine adsorbed on the group-VIIIA transition metal and the coinage metal (IB) electrode surfaces is employed as a model system to explore the metal-dependent nature of surface bonding. The periodic trends of the surface-enhanced Raman spectra are interpreted with the density-functional theory calculation results of bond geometries, bond energies, vibrational frequencies, and the force constants. On the basis of the normal-mode analysis the vibrational frequency shifts of the pyridine internal modes with the total symmetry are discussed in detail from the coupling between these internal modes and the N-M bonds. We show that the spectral properties of the ring breath mode (nu(1)) and the ring asymmetric deformation mode (nu(6a)) are sensitive to the interaction between metal and pyridine molecule. Although the frequency shift of the nu(1) mode is generally regarded as an indicator of the bonding strength, we find that the frequency shift of the nu(6a) mode has a nearly linear dependence on the force constant of the N-M bond; and thus conclude that nu(6a) is a better indicator than nu(1) for the strength of pyridine binding with the metals. (C) 2003 American Institute of Physics.zh_CN
dc.language.isoenzh_CN
dc.publisherAMER INST PHYSICSzh_CN
dc.titlePeriodic trends in the bonding and vibrational coupling: Pyridine interacting with transition metals and noble metals studied by surface-enhanced Raman spectroscopy and density-functional theoryzh_CN
dc.typeArticlezh_CN


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